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	hartrees
Energy at 0K	-27.079093
Energy at 298.15K	-27.088040
Nuclear repulsion energy	72.725919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3289	2965	42.95
2	A	3282	2958	191.44
3	A	3277	2953	116.19
4	A	3199	2883	31.79
5	A	3151	2841	69.57
6	A	1644	1481	11.88
7	A	1638	1476	6.22
8	A	1584	1428	1.57
9	A	1557	1404	4.96
10	A	1464	1320	5.38
11	A	1313	1184	3.34
12	A	1204	1085	3.15
13	A	1061	956	0.27
14	A	864	779	0.05
15	A	542	489	41.81
16	A	438	395	32.63
17	A	385	347	0.59
18	A	272	245	0.15
19	A	3399	3064	62.03
20	A	3273	2950	19.70
21	A	3270	2947	32.44
22	A	3192	2877	84.15
23	A	1628	1468	3.50
24	A	1626	1465	0.04
25	A	1548	1396	6.27
26	A	1474	1328	0.88
27	A	1283	1156	1.57
28	A	1055	951	0.00
29	A	1029	928	1.59
30	A	982	885	0.35
31	A	392	354	0.07
32	A	244	220	0.00
33	A	138	124	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.377	0.000
C2	1.508	0.162	0.000
H3	-0.199	1.454	0.000
H4	2.069	0.189	0.926
H5	2.069	0.189	-0.926
C6	-0.643	-0.220	-1.277
C7	-0.643	-0.220	1.277
H8	-0.492	-1.300	-1.316
H9	-1.717	-0.027	-1.298
H10	-0.205	0.214	-2.177
H11	-0.492	-1.300	1.316
H12	-1.717	-0.027	1.298
H13	-0.205	0.214	2.177

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.5232	1.0959	2.2750	2.2750	1.5488	1.5488	2.1875	2.1898	2.1927	2.1875	2.1898	2.1927
C2	1.5232		2.1407	1.0835	1.0835	2.5302	2.5302	2.8053	3.4814	2.7709	2.8053	3.4814	2.7709
H3	1.0959	2.1407		2.7575	2.7575	2.1518	2.1518	3.0668	2.4868	2.5055	3.0668	2.4868	2.5055
H4	2.2750	1.0835	2.7575		1.8529	3.5180	2.7651	3.7155	4.3965	3.8479	2.9879	3.8104	2.5959
H5	2.2750	1.0835	2.7575	1.8529		2.7651	3.5180	2.9879	3.8104	2.5959	3.7155	4.3965	3.8479
C6	1.5488	2.5302	2.1518	3.5180	2.7651		2.5530	1.0914	1.0913	1.0911	2.8127	2.7962	3.5080
C7	1.5488	2.5302	2.1518	2.7651	3.5180	2.5530		2.8127	2.7962	3.5080	1.0914	1.0913	1.0911
H8	2.1875	2.8053	3.0668	3.7155	2.9879	1.0914	2.8127		1.7669	1.7651	2.6323	3.1552	3.8179
H9	2.1898	3.4814	2.4868	4.3965	3.8104	1.0913	2.7962	1.7669		1.7649	3.1552	2.5961	3.7971
H10	2.1927	2.7709	2.5055	3.8479	2.5959	1.0911	3.5080	1.7651	1.7649		3.8179	3.7971	4.3539
H11	2.1875	2.8053	3.0668	2.9879	3.7155	2.8127	1.0914	2.6323	3.1552	3.8179		1.7669	1.7651
H12	2.1898	3.4814	2.4868	3.8104	4.3965	2.7962	1.0913	3.1552	2.5961	3.7971	1.7669		1.7649
H13	2.1927	2.7709	2.5055	2.5959	3.8479	3.5080	1.0911	3.8179	3.7971	4.3539	1.7651	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.621	C1	C2	H5	120.621
C1	C6	H8	110.708	C1	C6	H9	110.897
C1	C6	H10	111.133	C1	C7	H11	110.708
C1	C7	H12	110.897	C1	C7	H13	111.133
C2	C1	H3	108.540	C2	C1	C6	110.902
C2	C1	C7	110.902	H3	C1	C6	107.668
H3	C1	C7	107.668	H4	C2	H5	117.529
C6	C1	C7	111.016	H8	C6	H9	108.093
H8	C6	H10	107.942	H9	C6	H10	107.941
H11	C7	H12	108.093	H11	C7	H13	107.942
H12	C7	H13	107.941

All results from a given calculation for CH₂CH(CH₃)₂ (Isobutyl radical)

using model chemistry: HF/CEP-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.166
2	C	-0.413
3	H	0.076
4	H	0.152
5	H	0.152
6	C	-0.393
7	C	-0.393
8	H	0.099
9	H	0.112
10	H	0.117
11	H	0.099
12	H	0.112
13	H	0.117

	x	y	z	Total
	-0.177	0.262	0.000	0.316
CHELPG
AIM
ESP

	x	y	z
x	6.139	0.027	0.000
y	0.027	4.986	0.000
z	0.000	0.000	6.088

<r²>	82.732
(<r²>)^1/2	9.096

All results from a given calculation for CH2CH(CH3)2 (Isobutyl radical)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CH₂CH(CH₃)₂ (Isobutyl radical)